Relationship Network
Interactive first-hop connections across herbs, ingredients, formulas, targets, diseases, symptoms, syndromes, evidence, and monographs.
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Herb: 1Ingredient: 1Links: 1
Arranging relationship network...
Record Fields
Scalar fields from the final ingredient record.
- Ingredient Id
- 18075
- Core Entity Id
- 23267
- Source Entity Count
- 1
- Preferred Name
- Ent-14alpha,15alpha-dihydroxy-16-kaurene
- Name En
- Pubchem Id
- 101168859
- Smiles Canonical
- CC1(CCCC2(C1CCC34C2CCC(C3O)C(=C)C4O)C)C
- Molecular Formula
- C20H32O2
- Molecular Weight
- 304.4740
- Inchikey
- HGUZTKWPZYWZQU-CTGXHRHHSA-N
- Inchi
- InChI=1S/C20H32O2/c1-12-13-6-7-15-19(4)10-5-9-18(2,3)14(19)8-11-20(15,16(12)21)17(13)22/h13-17,21-22H,1,5-11H2,2-4H3/t13-,14+,15-,16+,17+,19+,20+/m0/s1
- Isomeric Smiles
- C[C@@]12CCCC([C@H]1CC[C@]34[C@H]2CC[C@H]([C@H]3O)C(=C)[C@H]4O)(C)C
- Cas Id
- Ob Score
- Mol Logp
- 3.9170
- Num H Donors
- 2
- Num H Acceptors
- 2
- Num Rotatable Bonds
- 0
- Drug Likeness
- 0.6660
- Polar Surface Area
- Molecular Volume
- Alogp
Names
Preferred names, aliases, and source labels retained in the final schema.
Name
Ent-14alpha,15alpha-dihydroxy-16-kaurene
Role
preferred
Source
HERB_v2
Preferred
Yes
Name
Ent-14alpha,15alpha-dihydroxy-16-kaurene
Role
preferred
Source
itcmdb_public
Preferred
Yes
Name
ent-14-alpha,15-alpha-Dihydroxy-16-kaurene
Role
preferred
Source
ETCM_v2
Preferred
Yes
Name
CHEMBL3426520
Role
alias
Source
HERB_v2
Preferred
No
Name
CHEMBL3426520
Role
alias
Source
itcmdb_public
Preferred
No
Aliases
Additional names normalized into the restored final schema.
ent-14-alpha,15-alpha-Dihydroxy-16-kaureneCHEMBL3426520
Cross References
Trusted external identifiers retained for this final record.
Herb
HBIN025110
Tcmid
5934
Pub Chem
101168859
Etcm Ingredient
ent-14-alpha,15-alpha-Dihydroxy-16-kaurene
Itcmdb Generated
ITX-INGREDIENT-453137EEDA06
Attributes
Merged source attributes and domain-specific metadata.
In Ch I
InChI=1S/C20H32O2/c1-12-13-6-7-15-19(4)10-5-9-18(2,3)14(19)8-11-20(15,16(12)21)17(13)22/h13-17,21-22H,1,5-11H2,2-4H3/t13-,14+,15-,16+,17+,19+,20+/m0/s1
Mol Wt
304.474
Mol Log P
3.917000000000003
In Ch Ikey
HGUZTKWPZYWZQU-CTGXHRHHSA-N
Num Hdonors
2
Drug Likeness
0.666
Num Hacceptors
2
Isomeric Smiles
C[C@@]12CCCC([C@H]1CC[C@]34[C@H]2CC[C@H]([C@H]3O)C(=C)[C@H]4O)(C)C
Canonical Smiles
CC1(CCCC2(C1CCC34C2CCC(C3O)C(=C)C4O)C)C
Herb Alias Names
CHEMBL3426520
Molecular Weight
304.240
Molecular Formula
C20H32O2
Molecular Formula
C20H32O2
Num Rotatable Bonds
0
Fda Maximum Daily Dose (Fdamdd)
0.919
Quantitative Estimate Of Drug Likeness（Qed）
0.666