Relationship Network
Interactive first-hop connections across herbs, ingredients, formulas, targets, diseases, symptoms, syndromes, evidence, and monographs.
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Herb: 1Ingredient: 1Target: 8Links: 17
Arranging relationship network...
Record Fields
Scalar fields from the final ingredient record.
- Ingredient Id
- 39307
- Core Entity Id
- 72463
- Source Entity Count
- 1
- Preferred Name
- 1beta,13-dihydroxy-8,11,13-podocarpatriene
- Name En
- Pubchem Id
- 10956305
- Smiles Canonical
- CC1(CCC(C2(C1CCC3=C2C=CC(=C3)O)C)O)C
- Molecular Formula
- C17H24O2
- Molecular Weight
- 260.3770
- Inchikey
- MEMJJLCEZJUTHW-ZMSDIMECSA-N
- Inchi
- InChI=1S/C17H24O2/c1-16(2)9-8-15(19)17(3)13-6-5-12(18)10-11(13)4-7-14(16)17/h5-6,10,14-15,18-19H,4,7-9H2,1-3H3/t14-,15+,17+/m0/s1
- Isomeric Smiles
- C[C@]12[C@@H](CCC3=C1C=CC(=C3)O)C(CC[C@H]2O)(C)C
- Cas Id
- Ob Score
- Mol Logp
- 3.3932
- Num H Donors
- 2
- Num H Acceptors
- 2
- Num Rotatable Bonds
- 0
- Drug Likeness
- 0.7500
- Polar Surface Area
- Molecular Volume
- Alogp
Names
Preferred names, aliases, and source labels retained in the final schema.
Name
1-beta,13-Dihydroxy-8,11,13-podocarpatriene
Role
preferred
Source
ETCM_v2
Preferred
Yes
Name
1beta,13-dihydroxy-8,11,13-podocarpatriene
Role
preferred
Source
HERB_v2
Preferred
Yes
Name
1beta,13-dihydroxy-8,11,13-podocarpatriene
Role
preferred
Source
itcmdb_public
Preferred
Yes
Aliases
Additional names normalized into the restored final schema.
1-beta,13-Dihydroxy-8,11,13-podocarpatriene
Cross References
Trusted external identifiers retained for this final record.
Herb
HBIN002338
Npass
NPC33075
Tcmid
6098
Pub Chem
10956305
Etcm Ingredient
1-beta,13-Dihydroxy-8,11,13-podocarpatriene
Itcmdb Generated
ITX-INGREDIENT-DE2DED0ED8DC
Attributes
Merged source attributes and domain-specific metadata.
In Ch I
InChI=1S/C17H24O2/c1-16(2)9-8-15(19)17(3)13-6-5-12(18)10-11(13)4-7-14(16)17/h5-6,10,14-15,18-19H,4,7-9H2,1-3H3/t14-,15+,17+/m0/s1
Mol Wt
260.377
Mol Log P
3.393200000000002
In Ch Ikey
MEMJJLCEZJUTHW-ZMSDIMECSA-N
Num Hdonors
2
Drug Likeness
0.75
Num Hacceptors
2
Isomeric Smiles
C[C@]12[C@@H](CCC3=C1C=CC(=C3)O)C(CC[C@H]2O)(C)C
Canonical Smiles
CC1(CCC(C2(C1CCC3=C2C=CC(=C3)O)C)O)C
Molecular Weight
260.180
Molecular Formula
C17H24O2
Molecular Formula
C17H24O2
Num Rotatable Bonds
0
Fda Maximum Daily Dose (Fdamdd)
0.899
Quantitative Estimate Of Drug Likeness（Qed）
0.750