Relationship Network
Interactive first-hop connections across herbs, ingredients, formulas, targets, diseases, symptoms, syndromes, evidence, and monographs.
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Herb: 3Ingredient: 1Links: 3
Arranging relationship network...
Record Fields
Scalar fields from the final ingredient record.
- Ingredient Id
- 2141
- Core Entity Id
- 5569
- Source Entity Count
- 1
- Preferred Name
- 2-methyl-2-vinyl-3-isopropenyl-5-isopropylidene cyclohexanol
- Name En
- Pubchem Id
- 5319812
- Smiles Canonical
- CC(=C1CC(C(C(C1)O)(C)C=C)C(=C)C)C
- Molecular Formula
- C15H24O
- Molecular Weight
- 220.3560
- Inchikey
- NXYYOMZNPGACRA-NFOMZHRRSA-N
- Inchi
- InChI=1S/C15H24O/c1-7-15(6)13(11(4)5)8-12(10(2)3)9-14(15)16/h7,13-14,16H,1,4,8-9H2,2-3,5-6H3/t13-,14?,15?/m0/s1
- Isomeric Smiles
- CC(=C1C[C@H](C(C(C1)O)(C)C=C)C(=C)C)C
- Cas Id
- Ob Score
- Mol Logp
- 3.8621
- Num H Donors
- 1
- Num H Acceptors
- 1
- Num Rotatable Bonds
- 2
- Drug Likeness
- 0.7010
- Polar Surface Area
- Molecular Volume
- Alogp
Names
Preferred names, aliases, and source labels retained in the final schema.
Name
2-Methyl-2-Vinyl-3-Isopropenyl-5-Isopropylidene Cyclohexanol
Role
preferred
Source
SymMap_v2
Preferred
Yes
Name
2-Methyl-2-vinyl-3-isopropenyl-5-isopropylidene cyclohexanol
Role
preferred
Source
ETCM_v2
Preferred
Yes
Name
2-methyl-2-vinyl-3-isopropenyl-5-isopropylidene cyclohexanol
Role
preferred
Source
HERB_v2
Preferred
Yes
Name
2-methyl-2-vinyl-3-isopropenyl-5-isopropylidene cyclohexanol
Role
preferred
Source
TCMBank
Preferred
Yes
Name
2-methyl-2-vinyl-3-isopropenyl-5-isopropylidene cyclohexanol
Role
preferred
Source
itcmdb_public
Preferred
Yes
Name
(3S)-2-ethenyl-2-methyl-5-propan-2-ylidene-3-prop-1-en-2-ylcyclohexan-1-ol
Role
alias
Source
TCMBank
Preferred
No
Name
AC1NSYNV
Role
alias
Source
TCMBank
Preferred
No
Aliases
Additional names normalized into the restored final schema.
(3S)-2-ethenyl-2-methyl-5-propan-2-ylidene-3-prop-1-en-2-ylcyclohexan-1-olAC1NSYNV
Cross References
Trusted external identifiers retained for this final record.
Herb
HBIN005958
Npass
NPC33315
Tcmid
14802
Sym Map
SMIT16747
Pub Chem
5319812
Tcmbank
TCMBANKIN033055
Etcm Ingredient
2-Methyl-2-vinyl-3-isopropenyl-5-isopropylidene cyclohexanol
Itcmdb Generated
ITX-INGREDIENT-8F9BF894537B
Attributes
Merged source attributes and domain-specific metadata.
Type
Other ingredients
In Ch I
InChI=1S/C15H24O/c1-7-15(6)13(11(4)5)8-12(10(2)3)9-14(15)16/h7,13-14,16H,1,4,8-9H2,2-3,5-6H3/t13-,14?,15?/m0/s1
Mol Wt
220.3559999999999
Smiles
CC(=C1CC(C(C(C1)O)(C)C=C)C(=C)C)C
Mol Log P
3.862100000000003
Version
v1,v2
In Ch Ikey
NXYYOMZNPGACRA-NFOMZHRRSA-N
Suppress
0
Num Hdonors
1
Drug Likeness
0.701
Num Hacceptors
1
Isomeric Smiles
CC(=C1C[C@H](C(C(C1)O)(C)C=C)C(=C)C)C
Canonical Smiles
CC(=C1CC(C(C(C1)O)(C)C=C)C(=C)C)C
Molecular Weight
220.180
Molecular Formula
C15H24O
Molecular Formula
C15H24O
Num Rotatable Bonds
2
Fda Maximum Daily Dose (Fdamdd)
0.464
Quantitative Estimate Of Drug Likeness（Qed）
0.701