Relationship Network
Interactive first-hop connections across herbs, ingredients, formulas, targets, diseases, symptoms, syndromes, evidence, and monographs.
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Herb: 2Ingredient: 1Target: 2Links: 4
Arranging relationship network...
Record Fields
Scalar fields from the final ingredient record.
- Ingredient Id
- 34665
- Core Entity Id
- 41722
- Source Entity Count
- 1
- Preferred Name
- Taxodione
- Name En
- Pubchem Id
- 73588
- Smiles Canonical
- CC(C)C1=CC2=CC(=O)C3C(CCCC3(C2=C(C1=O)O)C)(C)C
- Molecular Formula
- C20H26O3
- Molecular Weight
- 314.4250
- Inchikey
- FNNZMRSRVYUVQT-AZUAARDMSA-N
- Inchi
- InChI=1S/C20H26O3/c1-11(2)13-9-12-10-14(21)18-19(3,4)7-6-8-20(18,5)15(12)17(23)16(13)22/h9-11,18,23H,6-8H2,1-5H3/t18-,20+/m0/s1
- Isomeric Smiles
- CC(C)C1=CC2=CC(=O)[C@@H]3[C@@](C2=C(C1=O)O)(CCCC3(C)C)C
- Cas Id
- Ob Score
- Mol Logp
- 4.3053
- Num H Donors
- 1
- Num H Acceptors
- 3
- Num Rotatable Bonds
- 1
- Drug Likeness
- 0.7850
- Polar Surface Area
- Molecular Volume
- Alogp
Names
Preferred names, aliases, and source labels retained in the final schema.
Name
Taxodione
Role
preferred
Source
ETCM_v2
Preferred
Yes
Name
Taxodione
Role
preferred
Source
HERB_v2
Preferred
Yes
Name
Taxodione
Role
preferred
Source
itcmdb_public
Preferred
Yes
Name
taxodione
Role
preferred
Source
TCMBank
Preferred
Yes
Name
(4bS,8aS)-4-hydroxy-2-isopropyl-4b,8,8-trimethyl-5,6,7,8a-tetrahydrophenanthrene-3,9-dione
Role
alias
Source
HERB_v2
Preferred
No
Name
(4bS,8aS)-4-hydroxy-2-isopropyl-4b,8,8-trimethyl-5,6,7,8a-tetrahydrophenanthrene-3,9-dione
Role
alias
Source
itcmdb_public
Preferred
No
Name
(4bS,8aS)-4-hydroxy-4b,8,8-trimethyl-2-propan-2-yl-5,6,7,8a-tetrahydrophenanthrene-3,9-dione
Role
alias
Source
itcmdb_public
Preferred
No
Name
(4bS,8aS)-4-hydroxy-4b,8,8-trimethyl-2-propan-2-yl-5,6,7,8a-tetrahydrophenanthrene-3,9-dione
Role
alias
Source
HERB_v2
Preferred
No
Name
19026-31-4
Role
alias
Source
itcmdb_public
Preferred
No
Name
19026-31-4
Role
alias
Source
HERB_v2
Preferred
No
Name
3,9-Phenanthrenedione, 4b,5,6,7,8,8a-hexahydro-4-hydroxy-4b,8,8-trimethyl-2-(1-methylethyl)-, (4bS-trans)-
Role
alias
Source
HERB_v2
Preferred
No
Name
3,9-Phenanthrenedione, 4b,5,6,7,8,8a-hexahydro-4-hydroxy-4b,8,8-trimethyl-2-(1-methylethyl)-, (4bS-trans)-
Role
alias
Source
itcmdb_public
Preferred
No
Name
CHEBI:9419
Role
alias
Source
itcmdb_public
Preferred
No
Name
CHEBI:9419
Role
alias
Source
HERB_v2
Preferred
No
Name
Podocarpa-7,9(11),13-triene-6,12-dione, 11-hydroxy-13-isopropyl-
Role
alias
Source
itcmdb_public
Preferred
No
Name
Podocarpa-7,9(11),13-triene-6,12-dione, 11-hydroxy-13-isopropyl-
Role
alias
Source
HERB_v2
Preferred
No
Name
Taxodion
Role
alias
Source
itcmdb_public
Preferred
No
Name
Taxodion
Role
alias
Source
HERB_v2
Preferred
No
Name
Taxodione, (+)-
Role
alias
Source
HERB_v2
Preferred
No
Name
Taxodione, (+)-
Role
alias
Source
itcmdb_public
Preferred
No
Name
W96G420HJX
Role
alias
Source
itcmdb_public
Preferred
No
Name
W96G420HJX
Role
alias
Source
HERB_v2
Preferred
No
Aliases
Additional names normalized into the restored final schema.
(4bS,8aS)-4-hydroxy-2-isopropyl-4b,8,8-trimethyl-5,6,7,8a-tetrahydrophenanthrene-3,9-dione(4bS,8aS)-4-hydroxy-4b,8,8-trimethyl-2-propan-2-yl-5,6,7,8a-tetrahydrophenanthrene-3,9-dione19026-31-43,9-Phenanthrenedione, 4b,5,6,7,8,8a-hexahydro-4-hydroxy-4b,8,8-trimethyl-2-(1-methylethyl)-, (4bS-trans)-CHEBI:9419Podocarpa-7,9(11),13-triene-6,12-dione, 11-hydroxy-13-isopropyl-TaxodionTaxodione, (+)-W96G420HJX
Cross References
Trusted external identifiers retained for this final record.
Herb
HBIN045703
Npass
NPC27817
Tcmid
20793
Tcm Id
25002614
Pub Chem
73588
Tcmbank
TCMBANKIN028823
Etcm Ingredient
Taxodione
Itcmdb Generated
ITX-INGREDIENT-63AA460D7536
Attributes
Merged source attributes and domain-specific metadata.
In Ch I
InChI=1S/C20H26O3/c1-11(2)13-9-12-10-14(21)18-19(3,4)7-6-8-20(18,5)15(12)17(23)16(13)22/h9-11,18,23H,6-8H2,1-5H3/t18-,20+/m0/s1
Mol Wt
314.425
Smiles
CC(C)C1=CC2=CC(=O)C3C(CCCC3(C2=C(C1=O)O)C)(C)C
Mol Log P
4.305300000000003
In Ch Ikey
FNNZMRSRVYUVQT-AZUAARDMSA-N
Num Hdonors
1
Drug Likeness
0.785
Num Hacceptors
3
Isomeric Smiles
CC(C)C1=CC2=CC(=O)[C@@H]3[C@@](C2=C(C1=O)O)(CCCC3(C)C)C
Canonical Smiles
CC(C)C1=CC2=CC(=O)C3C(CCCC3(C2=C(C1=O)O)C)(C)C
Herb Alias Names
TaxodionTaxodione, (+)-19026-31-4CHEBI:9419W96G420HJX(4bS,8aS)-4-hydroxy-4b,8,8-trimethyl-2-propan-2-yl-5,6,7,8a-tetrahydrophenanthrene-3,9-dionePodocarpa-7,9(11),13-triene-6,12-dione, 11-hydroxy-13-isopropyl-3,9-Phenanthrenedione, 4b,5,6,7,8,8a-hexahydro-4-hydroxy-4b,8,8-trimethyl-2-(1-methylethyl)-, (4bS-trans)-(4bS,8aS)-4-hydroxy-2-isopropyl-4b,8,8-trimethyl-5,6,7,8a-tetrahydrophenanthrene-3,9-dione
Molecular Weight
314.190
Molecular Weight
314.4 g/mol
Molecular Formula
C20H26O3
Molecular Formula
C20H26O3
Molecular Formula
C20H26O3
Num Rotatable Bonds
1
Fda Maximum Daily Dose (Fdamdd)
0.291
Quantitative Estimate Of Drug Likeness（Qed）
0.758