기본 정보
- CAS
4075-07-4- 표준 SMILES
CC12C=CCC1C1CCC3=CC(=O)CCC3(C)C1CC2- InChIKey
HNDHDMOSWUAEAW-UHFFFAOYSA-N- 분자식
- C19H26O
- 평균 분자량
- 270.4 g/mol
- 단동위원소 질량
- 270.19836545
이름 및 식별자
- 우선 이름
- 10,13-Dimethyl-1,2,6,7,8,9,11,12,14,15-decahydrocyclopenta[a]phenanthren-3-one
- IUPAC
- 10,13-dimethyl-1,2,6,7,8,9,11,12,14,15-decahydrocyclopenta[a]phenanthren-3-one
- 현지명
- 안드로스타다이에논
- 영어명
- 4,16-Androstadien-3-one
- 분자식
- C19H26O
- 분자량
- 270.41
이름 및 동의어
이름 더 보기
데이터베이스 식별자
- CAS
4075-07-4- PubChem CID
- 261258
- ChEMBL
CHEMBL141998
물성
구조 계산 물성
- XLogP
- 4.5
- 극성 표면적
- 17.1 Ų
- 수소 결합 공여자 수
- 0
- 수소 결합 수용자 수
- 1
- 회전 가능 결합 수
- 0
- 무거운 원자 수
- 20
- 형식 전하
- 0
- 복잡도
- 514
물리화학적 성질
- 녹는점
- 131.5 · 131.5-133.5 °C
- 끓는 점
- 390.3 · 390.3±42.0 °C(Predicted)
- 밀도
- 1.07 · 1.07±0.1 g/cm3(Predicted)
- 용해도
- 클로로포름(약간 용해됨), 메탄올(약간 용해됨)
- 물리적 상태
- 고체
- 색상
- 흰색에서 황백색까지
- 화장품 원료 기능
- 향기
- InChI
- InChI=1S/C19H26O/c1-18-9-3-4-16(18)15-6-5-13-12-14(20)7-11-19(13,2)17(15)8-10-18/h3,9,12,15-17H,4-8,10-11H2,1-2H3/t15-,16-,17-,18-,19-/m0/s1
- InChIKey
- HNDHDMOSWUAEAW-VMXHOPILSA-N
- SMILES
- C1(=O)C=C2[C@](C)(CC1)[C@]1([H])[C@]([H])([C@@]3([H])[C@@](CC1)(C)C=CC3)CC2
- LogP
- 4.815 · 4.815 (est)
안전 및 규제
안전 데이터
- 신호 어
- Warning
- 유해·위험 문구
- 암호 유해·위험 문구 위험 등급 범주 신호 어 그림 문자 P- 코드 H351
화학 및 산업
응용 분야
출처It has been reported that 4,16-Androstadien-3-one (androstadienone) affects subjects'mood, psychophysiological responses and brain activity. 4,16-Androstadien-3-one is a member of the family of odorous 16-androstenes and can be found in the peripheral blood plasma of men to the extent of 98 ng/100 ml blood and in their axillary secretion with a mean value of 228 pmol/total axillary hair weight. Androstadienone can also be found in women but at a much smaller concentration. Male axillae are said to be dominated by coryneform bacteria, while women's axillae microflora are said to be dominated by micrococcacea bacteria. Although examined in only a few subjects, it has been shown that there is a high correlation between coryneform bacteria and the amount of 5α-androst-16-en-3-one (androstenone)[1].
용도Androstadienone is a prominent androstene present on male human axillary hair and on the male axillary skin surface. Studies suggest that Androstadienone has a strong pheromone-like activities in hum ans. Androstadienone is a metabolite of Testosterone (T155000).
공급사58 곳
추가 설명
정의The main 16-androstenes occurring in humans are 5α-androst-16-en-3-one (5α-androstenone), 5α-androst-16-en-3α-ol (5α-androstenol), and 4,16-androstadien-3-one (androstadienone). Their metabolism has been extensively studied in pigs, and they are produced in the Leydig cells in the testes from the precursor pregnenolone. In humans, it is thought that these compounds are produced in the adrenal glands and the ovary and that their metabolism follows a common steroidogenic pathway. Androstenol has been detected in human urine; androstenone and androstadienone occur in plasma and saliva.
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