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
- 39368
- Core Entity Id
- 72985
- Source Entity Count
- 1
- Preferred Name
- 1beta-hydroxy-4(15),7-eudesmadiene
- Name En
- Pubchem Id
- 11435962
- Smiles Canonical
- CC(C)C1=CCC2(C(CCC(=C)C2C1)O)C
- Molecular Formula
- C15H24O
- Molecular Weight
- 220.3560
- Inchikey
- FGPDTARJOXRWJD-RRFJBIMHSA-N
- Inchi
- InChI=1S/C15H24O/c1-10(2)12-7-8-15(4)13(9-12)11(3)5-6-14(15)16/h7,10,13-14,16H,3,5-6,8-9H2,1-2,4H3/t13-,14+,15+/m0/s1
- Isomeric Smiles
- CC(C)C1=CC[C@]2([C@@H](CCC(=C)[C@@H]2C1)O)C
- Cas Id
- Ob Score
- Mol Logp
- 3.6960
- Num H Donors
- 1
- Num H Acceptors
- 1
- Num Rotatable Bonds
- 1
- Drug Likeness
- 0.6680
- Polar Surface Area
- Molecular Volume
- Alogp
Names
Preferred names, aliases, and source labels retained in the final schema.
Name
1-beta-Hydroxy-4(15),7-eudesmadiene
Role
preferred
Source
ETCM_v2
Preferred
Yes
Name
1beta-hydroxy-4(15),7-eudesmadiene
Role
preferred
Source
HERB_v2
Preferred
Yes
Name
1beta-hydroxy-4(15),7-eudesmadiene
Role
preferred
Source
itcmdb_public
Preferred
Yes
Name
FGPDTARJOXRWJD-RRFJBIMHSA-
Role
alias
Source
HERB_v2
Preferred
No
Name
FGPDTARJOXRWJD-RRFJBIMHSA-
Role
alias
Source
itcmdb_public
Preferred
No
Name
InChI=1/C15H24O/c1-10(2)12-7-8-15(4)13(9-12)11(3)5-6-14(15)16/h7,10,13-14,16H,3,5-6,8-9H2,1-2,4H3/t13-,14+,15+/m0/s1
Role
alias
Source
HERB_v2
Preferred
No
Name
InChI=1/C15H24O/c1-10(2)12-7-8-15(4)13(9-12)11(3)5-6-14(15)16/h7,10,13-14,16H,3,5-6,8-9H2,1-2,4H3/t13-,14+,15+/m0/s1
Role
alias
Source
itcmdb_public
Preferred
No
Aliases
Additional names normalized into the restored final schema.
1-beta-Hydroxy-4(15),7-eudesmadieneFGPDTARJOXRWJD-RRFJBIMHSA-InChI=1/C15H24O/c1-10(2)12-7-8-15(4)13(9-12)11(3)5-6-14(15)16/h7,10,13-14,16H,3,5-6,8-9H2,1-2,4H3/t13-,14+,15+/m0/s1
Cross References
Trusted external identifiers retained for this final record.
Herb
HBIN002402
Npass
NPC173265
Tcmid
10108
Pub Chem
11435962
Etcm Ingredient
1-beta-Hydroxy-4(15),7-eudesmadiene
Itcmdb Generated
ITX-INGREDIENT-C2D20BB23D02
Attributes
Merged source attributes and domain-specific metadata.
In Ch I
InChI=1S/C15H24O/c1-10(2)12-7-8-15(4)13(9-12)11(3)5-6-14(15)16/h7,10,13-14,16H,3,5-6,8-9H2,1-2,4H3/t13-,14+,15+/m0/s1
Mol Wt
220.3559999999999
Mol Log P
3.696000000000002
In Ch Ikey
FGPDTARJOXRWJD-RRFJBIMHSA-N
Num Hdonors
1
Drug Likeness
0.668
Num Hacceptors
1
Isomeric Smiles
CC(C)C1=CC[C@]2([C@@H](CCC(=C)[C@@H]2C1)O)C
Canonical Smiles
CC(C)C1=CCC2(C(CCC(=C)C2C1)O)C
Herb Alias Names
FGPDTARJOXRWJD-RRFJBIMHSA-InChI=1/C15H24O/c1-10(2)12-7-8-15(4)13(9-12)11(3)5-6-14(15)16/h7,10,13-14,16H,3,5-6,8-9H2,1-2,4H3/t13-,14+,15+/m0/s1
Molecular Weight
220.180
Molecular Formula
C15H24O
Molecular Formula
C15H24O
Num Rotatable Bonds
1
Fda Maximum Daily Dose (Fdamdd)
0.978
Quantitative Estimate Of Drug Likeness（Qed）
0.668