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
- 18071
- Core Entity Id
- 23262
- Source Entity Count
- 1
- Preferred Name
- Ent-11alpha-hydroxy-16-kaurene
- Name En
- Pubchem Id
- 15478796
- Smiles Canonical
- CC1(CCCC2(C1CCC34C2CCC(C3)C(=C)C4O)C)C
- Molecular Formula
- C20H32O
- Molecular Weight
- 288.4750
- Inchikey
- TTZNRSPWNBMTAF-WGEZERDCSA-N
- Inchi
- InChI=1S/C20H32O/c1-13-14-6-7-16-19(4)10-5-9-18(2,3)15(19)8-11-20(16,12-14)17(13)21/h14-17,21H,1,5-12H2,2-4H3/t14-,15-,16+,17-,19-,20-/m1/s1
- Isomeric Smiles
- C[C@@]12CCCC([C@H]1CC[C@]34[C@H]2CC[C@H](C3)C(=C)[C@H]4O)(C)C
- Cas Id
- Ob Score
- Mol Logp
- 4.9462
- Num H Donors
- 1
- Num H Acceptors
- 1
- Num Rotatable Bonds
- 0
- Drug Likeness
- 0.6260
- Polar Surface Area
- Molecular Volume
- Alogp
Names
Preferred names, aliases, and source labels retained in the final schema.
Name
Ent-11alpha-hydroxy-16-kaurene
Role
preferred
Source
HERB_v2
Preferred
Yes
Name
Ent-11alpha-hydroxy-16-kaurene
Role
preferred
Source
itcmdb_public
Preferred
Yes
Name
ent-11-alpha-Hydroxy-16-kaurene
Role
preferred
Source
ETCM_v2
Preferred
Yes
Name
CHEMBL3426524
Role
alias
Source
itcmdb_public
Preferred
No
Name
CHEMBL3426524
Role
alias
Source
HERB_v2
Preferred
No
Aliases
Additional names normalized into the restored final schema.
ent-11-alpha-Hydroxy-16-kaureneCHEMBL3426524
Cross References
Trusted external identifiers retained for this final record.
Herb
HBIN025106
Tcmid
1028210283
Pub Chem
15478796
Etcm Ingredient
ent-11-alpha-Hydroxy-16-kaurene
Itcmdb Generated
ITX-INGREDIENT-F0CA57DD83F4
Attributes
Merged source attributes and domain-specific metadata.
In Ch I
InChI=1S/C20H32O/c1-13-14-6-7-16-19(4)10-5-9-18(2,3)15(19)8-11-20(16,12-14)17(13)21/h14-17,21H,1,5-12H2,2-4H3/t14-,15-,16+,17-,19-,20-/m1/s1
Mol Wt
288.475
Mol Log P
4.946200000000005
In Ch Ikey
TTZNRSPWNBMTAF-WGEZERDCSA-N
Num Hdonors
1
Drug Likeness
0.626
Num Hacceptors
1
Isomeric Smiles
C[C@@]12CCCC([C@H]1CC[C@]34[C@H]2CC[C@H](C3)C(=C)[C@H]4O)(C)C
Canonical Smiles
CC1(CCCC2(C1CCC34C2CCC(C3)C(=C)C4O)C)C
Herb Alias Names
CHEMBL3426524
Molecular Weight
288.250
Molecular Formula
C20H32O
Molecular Formula
C20H32O
Num Rotatable Bonds
0
Fda Maximum Daily Dose (Fdamdd)
0.922
Quantitative Estimate Of Drug Likeness（Qed）
0.626