Relationship Network
Interactive first-hop connections across herbs, ingredients, formulas, targets, diseases, symptoms, syndromes, evidence, and monographs.
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Herb: 2Ingredient: 1Links: 2
Arranging relationship network...
Record Fields
Scalar fields from the final ingredient record.
- Ingredient Id
- 35684
- Core Entity Id
- 42852
- Source Entity Count
- 1
- Preferred Name
- Tricyclovetivene
- Name En
- Pubchem Id
- 527242
- Smiles Canonical
- CC1(C2CCC3(C2)C(CCC3C1=C)CO)C
- Molecular Formula
- C15H24O
- Molecular Weight
- 220.3560
- Inchikey
- OOYRHNIVDZZGQV-UHFFFAOYSA-N
- Inchi
- InChI=1S/C15H24O/c1-10-13-5-4-12(9-16)15(13)7-6-11(8-15)14(10,2)3/h11-13,16H,1,4-9H2,2-3H3
- Isomeric Smiles
- CC1(C2CCC3(C2)C(CCC3C1=C)CO)C
- Cas Id
- Ob Score
- Mol Logp
- 3.3874
- Num H Donors
- 1
- Num H Acceptors
- 1
- Num Rotatable Bonds
- 1
- Drug Likeness
- 0.6720
- Polar Surface Area
- Molecular Volume
- Alogp
Names
Preferred names, aliases, and source labels retained in the final schema.
Name
Tricyclovetivene
Role
preferred
Source
itcmdb_public
Preferred
Yes
Name
Tricyclovetivene
Role
preferred
Source
ETCM_v2
Preferred
Yes
Name
Tricyclovetivene
Role
preferred
Source
HERB_v2
Preferred
Yes
Name
tricyclovetivene
Role
preferred
Source
TCMBank
Preferred
Yes
Name
((3S,3aR,6R,8aS)-7,7-Dimethyl-8-methyleneoctahydro-1H-3a,6-methanoazulen-3-yl)methanol
Role
alias
Source
HERB_v2
Preferred
No
Name
((3S,3aR,6R,8aS)-7,7-Dimethyl-8-methyleneoctahydro-1H-3a,6-methanoazulen-3-yl)methanol
Role
alias
Source
itcmdb_public
Preferred
No
Aliases
Additional names normalized into the restored final schema.
((3S,3aR,6R,8aS)-7,7-Dimethyl-8-methyleneoctahydro-1H-3a,6-methanoazulen-3-yl)methanol
Cross References
Trusted external identifiers retained for this final record.
Herb
HBIN046999
Tcmid
21585
Pub Chem
527242
Tcmbank
TCMBANKIN006949
Etcm Ingredient
Tricyclovetivene
Itcmdb Generated
ITX-INGREDIENT-71DD5C50FBEC
Attributes
Merged source attributes and domain-specific metadata.
In Ch I
InChI=1S/C15H24O/c1-10-13-5-4-12(9-16)15(13)7-6-11(8-15)14(10,2)3/h11-13,16H,1,4-9H2,2-3H3
Mol Wt
220.356
Smiles
CC1(C2CCC3(C2)C(CCC3C1=C)CO)C
Mol Log P
3.387400000000002
In Ch Ikey
OOYRHNIVDZZGQV-UHFFFAOYSA-N
Num Hdonors
1
Drug Likeness
0.672
Num Hacceptors
1
Isomeric Smiles
CC1(C2CCC3(C2)C(CCC3C1=C)CO)C
Canonical Smiles
CC1(C2CCC3(C2)C(CCC3C1=C)CO)C
Herb Alias Names
((3S,3aR,6R,8aS)-7,7-Dimethyl-8-methyleneoctahydro-1H-3a,6-methanoazulen-3-yl)methanol
Molecular Weight
204.190
Molecular Formula
C15H24
Molecular Formula
C15H24O
Molecular Formula
C15H24O
Num Rotatable Bonds
1
Fda Maximum Daily Dose (Fdamdd)
0.896
Quantitative Estimate Of Drug Likeness（Qed）
0.513