Relationship Network
Interactive first-hop connections across herbs, ingredients, formulas, targets, diseases, symptoms, syndromes, evidence, and monographs.
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Herb: 2Ingredient: 1Links: 2
Arranging relationship network...
Record Fields
Scalar fields from the final ingredient record.
- Ingredient Id
- 19360
- Core Entity Id
- 24699
- Source Entity Count
- 1
- Preferred Name
- Forrestin c
- Name En
- Pubchem Id
- 101193825
- Smiles Canonical
- CC(=O)OC1CC2CC3(C1C4(C(CC(C(C4C(C3OC(=O)C)O)(C)C)O)OC(=O)C)C)C(C2=C)O
- Molecular Formula
- C26H38O9
- Molecular Weight
- 494.5810
- Inchikey
- WNWJAUVVIRZDLV-LOJDAGIGSA-N
- Inchi
- InChI=1S/C26H38O9/c1-11-15-8-16(33-12(2)27)20-25(7)18(34-13(3)28)9-17(30)24(5,6)21(25)19(31)23(35-14(4)29)26(20,10-15)22(11)32/h15-23,30-32H,1,8-10H2,2-7H3/t15-,16+,17+,18+,19+,20+,21-,22-,23+,25+,26+/m1/s1
- Isomeric Smiles
- CC(=O)O[C@H]1C[C@@H]2C[C@]3([C@@H]1[C@@]4([C@H](C[C@@H](C([C@H]4[C@@H]([C@@H]3OC(=O)C)O)(C)C)O)OC(=O)C)C)[C@@H](C2=C)O
- Cas Id
- Ob Score
- Mol Logp
- 1.5126
- Num H Donors
- 3
- Num H Acceptors
- 9
- Num Rotatable Bonds
- 3
- Drug Likeness
- 0.3030
- Polar Surface Area
- Molecular Volume
- Alogp
Names
Preferred names, aliases, and source labels retained in the final schema.
Name
Forrestin C
Role
preferred
Source
TCMBank
Preferred
Yes
Name
Forrestin C
Role
preferred
Source
ETCM_v2
Preferred
Yes
Name
Forrestin c
Role
preferred
Source
HERB_v2
Preferred
Yes
Name
Forrestin c
Role
preferred
Source
itcmdb_public
Preferred
Yes
Name
腺花香茶菜
Role
TCM_name
Source
TCMBank
Preferred
No
Name
XIAN HUA XIANG CHA CAI
Role
TCM_name2
Source
TCMBank
Preferred
No
Name
Glandularflower Rabdosia
Role
TCM_name_en
Source
TCMBank
Preferred
No
Name
((1S,2R,3S,4R,6S,8S,9R,10S,11S,13S,15R)-2,8-diacetyloxy-3,6,15-trihydroxy-5,5,9-trimethyl-14-methylidene-11-tetracyclo(11.2.1.01,10.04,9)hexadecanyl) acetate
Role
alias
Source
HERB_v2
Preferred
No
Name
((1S,2R,3S,4R,6S,8S,9R,10S,11S,13S,15R)-2,8-diacetyloxy-3,6,15-trihydroxy-5,5,9-trimethyl-14-methylidene-11-tetracyclo(11.2.1.01,10.04,9)hexadecanyl) acetate
Role
alias
Source
itcmdb_public
Preferred
No
Name
152175-70-7
Role
alias
Source
itcmdb_public
Preferred
No
Name
152175-70-7
Role
alias
Source
HERB_v2
Preferred
No
Name
CHEMBL512631
Role
alias
Source
itcmdb_public
Preferred
No
Name
CHEMBL512631
Role
alias
Source
HERB_v2
Preferred
No
Aliases
Additional names normalized into the restored final schema.
腺花香茶菜XIAN HUA XIANG CHA CAIGlandularflower Rabdosia((1S,2R,3S,4R,6S,8S,9R,10S,11S,13S,15R)-2,8-diacetyloxy-3,6,15-trihydroxy-5,5,9-trimethyl-14-methylidene-11-tetracyclo(11.2.1.01,10.04,9)hexadecanyl) acetate152175-70-7CHEMBL512631
Cross References
Trusted external identifiers retained for this final record.
Herb
HBIN026681
Npass
NPC213461
Tcmid
7916
Pub Chem
10119382544577318
Tcmbank
TCMBANKIN048427
Etcm Ingredient
Forrestin C
Itcmdb Generated
ITX-INGREDIENT-B181FA490EC1
Attributes
Merged source attributes and domain-specific metadata.
In Ch I
InChI=1S/C26H38O9/c1-11-15-8-16(33-12(2)27)20-25(7)18(34-13(3)28)9-17(30)24(5,6)21(25)19(31)23(35-14(4)29)26(20,10-15)22(11)32/h15-23,30-32H,1,8-10H2,2-7H3/t15-,16+,17+,18+,19+,20+,21-,22-,23+,25+,26+/m1/s1
Mol Wt
494.5810000000004
Mol Log P
1.5126
In Ch Ikey
WNWJAUVVIRZDLV-LOJDAGIGSA-N
Tcm Name
腺花香茶菜
Tcm Name2
XIAN HUA XIANG CHA CAI
Mol2 Path
/TCM_database/2007_3d_all/07917.mol2
Reference
4067, 4640
Num Hdonors
3
Tcm Name En
Glandularflower Rabdosia
Drug Likeness
0.303
Num Hacceptors
9
Isomeric Smiles
CC(=O)O[C@H]1C[C@@H]2C[C@]3([C@@H]1[C@@]4([C@H](C[C@@H](C([C@H]4[C@@H]([C@@H]3OC(=O)C)O)(C)C)O)OC(=O)C)C)[C@@H](C2=C)O
Canonical Smiles
CC(=O)OC1CC2CC3(C1C4(C(CC(C(C4C(C3OC(=O)C)O)(C)C)O)OC(=O)C)C)C(C2=C)O
Herb Alias Names
((1S,2R,3S,4R,6S,8S,9R,10S,11S,13S,15R)-2,8-diacetyloxy-3,6,15-trihydroxy-5,5,9-trimethyl-14-methylidene-11-tetracyclo(11.2.1.01,10.04,9)hexadecanyl) acetate[(1S,2R,3S,4R,6S,8S,9R,10S,11S,13S,15R)-2,8-diacetyloxy-3,6,15-trihydroxy-5,5,9-trimethyl-14-methylidene-11-tetracyclo[11.2.1.01,10.04,9]hexadecanyl] acetateCHEMBL512631152175-70-7
Molecular Weight
494.250
Molecular Weight
494.6 g/mol
Molecular Formula
C26H38O9
Molecular Formula
C26H38O9
Num Rotatable Bonds
3
Fda Maximum Daily Dose (Fdamdd)
0.995
Quantitative Estimate Of Drug Likeness（Qed）
0.303